1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]thiourea Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

InChI

InChI=1S/C16H21ClN4O3S/c1-2-3-4-8-18-15(25)20-19-14(22)7-9-21-12-6-5-11(17)10-13(12)24-16(21)23/h5-6,10H,2-4,7-9H2,1H3,(H,19,22)(H2,18,20,25)